(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol

C16H21N3O2 — CID 100841885

IUPAC(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
SMILESO[C@H](CN1CCO[C@@H](Cn2cccn2)C1)c1ccccc1
InChIInChI=1S/C16H21N3O2/c20-16(14-5-2-1-3-6-14)13-18-9-10-21-15(11-18)12-19-8-4-7-17-19/h1-8,15-16,20H,9-13H2/t15-,16-/m1/s1
InChIKeyZJXUYWPIZSAKKS-HZPDHXFCSA-N
MW287.36 g/mol
LogP1.32
Rot. Bonds5

About (1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol

(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol (PubChem CID 100841885) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
PubChem CID100841885
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
SMILESO[C@H](CN1CCO[C@@H](Cn2cccn2)C1)c1ccccc1
InChIInChI=1S/C16H21N3O2/c20-16(14-5-2-1-3-6-14)13-18-9-10-21-15(11-18)12-19-8-4-7-17-19/h1-8,15-16,20H,9-13H2/t15-,16-/m1/s1
InChIKeyZJXUYWPIZSAKKS-HZPDHXFCSA-N
XLogP1.32
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(3,4-dimethylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841952
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 95288616
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100843607
(1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol
CID 100841984
(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100841955
(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100842326
(2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100843595
(2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 98172915
(2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94176327
(1S)-1-(4-fluorophenyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 95329376
(2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95295560
(1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol
CID 100870344

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol?
The IUPAC name of (1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol (CID 100841885) is (1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol?
The canonical SMILES for (1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol is O[C@H](CN1CCO[C@@H](Cn2cccn2)C1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol?
The InChIKey is ZJXUYWPIZSAKKS-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-16(14-5-2-1-3-6-14)13-18-9-10-21-15(11-18)12-19-8-4-7-17-19/h1-8,15-16,20H,9-13H2/t15-,16-/m1/s1.
What are the key properties of (1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol?
(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol has a molecular weight of 287.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol is sourced from PubChem (CID 100841885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).